ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

9707746

Analogs

9622044

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	6.7	-23.8	0	7	0	95	454.476	6	↓ MOL2 SDF SMILES Flexibase

33445542

Analogs

8998155
9001081

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-chloro-5-nitro-benzamide (NZ)-N-(3-allyl-6-bromo-1,3-benz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.38	11.62	-9.31	0	6	0	80	452.717	4	↓ MOL2 SDF SMILES Flexibase

35253999

Analogs

8797645
8797657
8797711

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide (NZ)-N-(6-chloro-3-ethyl-4-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.98	12.58	-13.25	0	6	0	72	522.136	10	↓ MOL2 SDF SMILES Flexibase

12032731

Analogs

12032732
12032766
12378101
12378102
13062025

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.76	0.72	-12.11	0	4	0	44	312.394	3	↓ MOL2 SDF SMILES Flexibase

12032732

Analogs

12032766
12378102
13062025
33854841
36630702

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methyl-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.21	1.04	-12.03	0	4	0	44	326.421	3	↓ MOL2 SDF SMILES Flexibase

12032733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	1.24	-11.03	0	7	0	89	357.391	4	↓ MOL2 SDF SMILES Flexibase

12032734

Analogs

12032781
2715238

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	1.24	-15.45	0	7	0	89	357.391	4	↓ MOL2 SDF SMILES Flexibase

12032735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-fluoro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.93	1.46	-10.18	0	4	0	44	330.384	3	↓ MOL2 SDF SMILES Flexibase

12032736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-fluoro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.91	1.46	-12.22	0	4	0	44	330.384	3	↓ MOL2 SDF SMILES Flexibase

12032737

Analogs

36631151
39716930
39716936

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	0.76	-13.88	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032738

Analogs

12032778

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.36	1.48	-15.28	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	1.52	-13.83	0	7	0	71	402.472	6	↓ MOL2 SDF SMILES Flexibase

12032743

Analogs

39716920
39716933
39716934

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-cyano-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-cyano-N-(3-ethyl-4-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.52	2.1	-11.69	0	5	0	67	337.404	3	↓ MOL2 SDF SMILES Flexibase

12032746

Analogs

36631151
39716936

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	1.08	-14.01	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032748

Analogs

39716958
39717035
39723122
39723207

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.64	2.9	-12.11	0	4	0	44	380.391	4	↓ MOL2 SDF SMILES Flexibase

12032760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	1.86	-12.79	0	6	0	70	370.43	5	↓ MOL2 SDF SMILES Flexibase

12032764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-methyl-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.17	0.96	-11.16	0	4	0	44	326.421	3	↓ MOL2 SDF SMILES Flexibase

12032765

Analogs

4421278

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	1.19	-20.3	0	7	0	89	357.391	4	↓ MOL2 SDF SMILES Flexibase

12032766

Analogs

12378102
13062025
12032731
12032732

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-tert-butyl-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-tert-butyl-N-(3-ethyl-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.47	11.41	-11.34	0	4	0	44	368.502	4	↓ MOL2 SDF SMILES Flexibase

12032767

Analogs

13625451

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-fluoro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	1.39	-15.21	0	4	0	44	330.384	3	↓ MOL2 SDF SMILES Flexibase

12032769

Analogs

36631523
39716919
39716941
39716942
39723318

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.32	1.39	-15.15	0	5	0	53	342.42	4	↓ MOL2 SDF SMILES Flexibase

12032770

Analogs

33741978
33854841
36631010
36631761
39716923

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-ethoxy-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-ethoxy-N-(3-ethyl-4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	0.77	-12.02	0	5	0	53	356.447	5	↓ MOL2 SDF SMILES Flexibase

12032773

Analogs

12032779

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-dimethylamino-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-dimethylamino-N-(3-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.87	0.75	-13.22	0	5	0	47	355.463	4	↓ MOL2 SDF SMILES Flexibase

12032777

Analogs

33854841
36631010
39716982
39723303

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-isopropoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.56	9.99	-11.59	0	5	0	53	370.474	5	↓ MOL2 SDF SMILES Flexibase

12032778

Analogs

36631523
39723318
39723322
12032738

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	0.58	-19.65	0	6	0	62	372.446	5	↓ MOL2 SDF SMILES Flexibase

12032779

Analogs

12032773

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-diethylamino-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-diethylamino-N-(3-ethyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.62	1.29	-12.77	0	5	0	47	383.517	6	↓ MOL2 SDF SMILES Flexibase

12032780

Analogs

39716930

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-3,4,5-triethoxy-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-3,4,5-triethoxy-N-(3-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.53	11.02	-13.53	0	7	0	71	444.553	9	↓ MOL2 SDF SMILES Flexibase

12032781

Analogs

12032734
8957471

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide (NZ)-N-(3-ethyl-4-methoxy-1,3-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.61	10.41	-9.99	0	10	0	135	402.388	5	↓ MOL2 SDF SMILES Flexibase

12032785

Analogs

39716915
39716920
39716921
39716922
39716923

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-chloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-chloro-N-(3-ethyl-4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.44	0.57	-9.95	0	4	0	44	346.839	3	↓ MOL2 SDF SMILES Flexibase

12032786

Analogs

36630685
36630800
39716921
39716924
39716945

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-chloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-2-chloro-N-(3-ethyl-4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.40	0.6	-12.62	0	4	0	44	346.839	3	↓ MOL2 SDF SMILES Flexibase

12032787

Analogs

12378109

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-3,5-dichloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-3,5-dichloro-N-(3-ethyl-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	0.43	-8.95	0	4	0	44	381.284	3	↓ MOL2 SDF SMILES Flexibase

12032788

Analogs

36630685
39716921
39716924
39716945
39716951

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2,4-dichloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-2,4-dichloro-N-(3-ethyl-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	0.46	-10.2	0	4	0	44	381.284	3	↓ MOL2 SDF SMILES Flexibase

12032790

Analogs

36630800
39716921
39716924
39716945
39716959

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2,5-dichloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)benzamide (NZ)-2,5-dichloro-N-(3-ethyl-4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.05	10.11	-10.43	0	4	0	44	381.284	3	↓ MOL2 SDF SMILES Flexibase

12032795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-5-chloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide (NZ)-5-chloro-N-(3-ethyl-4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.33	1.47	-15.64	0	7	0	89	391.836	4	↓ MOL2 SDF SMILES Flexibase

12032796

Analogs

8957462
8958123

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-chloro-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide (NZ)-2-chloro-N-(3-ethyl-4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.33	10.26	-11.43	0	7	0	89	391.836	4	↓ MOL2 SDF SMILES Flexibase

12032797

Analogs

12032803
12032809
12032836
12378111
13100423

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.14	0.74	-11.68	0	4	0	44	326.421	4	↓ MOL2 SDF SMILES Flexibase

12032798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.10	1.25	-10.63	0	7	0	89	371.418	5	↓ MOL2 SDF SMILES Flexibase

12032799

Analogs

12032844
7349921
8958131

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	1.25	-15	0	7	0	89	371.418	5	↓ MOL2 SDF SMILES Flexibase

12032800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluoro-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.31	1.47	-9.76	0	4	0	44	344.411	4	↓ MOL2 SDF SMILES Flexibase

12032801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-fluoro-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.28	1.48	-11.82	0	4	0	44	344.411	4	↓ MOL2 SDF SMILES Flexibase

12032802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.17	0.75	-13.68	0	5	0	53	356.447	5	↓ MOL2 SDF SMILES Flexibase

12032803

Analogs

12032836
12032797

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.20	9.33	-11.86	0	5	0	53	356.447	5	↓ MOL2 SDF SMILES Flexibase

12032804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	0.77	-13.53	0	6	0	62	386.473	6	↓ MOL2 SDF SMILES Flexibase

12032805

Analogs

12378124

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	1.5	-14.94	0	6	0	62	386.473	6	↓ MOL2 SDF SMILES Flexibase

12032807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	1.53	-13.42	0	7	0	71	416.499	7	↓ MOL2 SDF SMILES Flexibase

12032809

Analogs

12378111
13100423
33667937
12032797

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-4-acetyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-acetyl-N-(4-ethoxy-3-ethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	1.18	-14.78	0	5	0	61	368.458	5	↓ MOL2 SDF SMILES Flexibase

12032813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxy-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.79	1.1	-13.74	0	6	0	62	386.473	6	↓ MOL2 SDF SMILES Flexibase

12032815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.01	11.02	-11.7	0	4	0	44	394.418	5	↓ MOL2 SDF SMILES Flexibase

12032817

Analogs

12378112
33586947
36631077
39723269

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethyl-benzamide (NZ)-N-(4-ethoxy-3-ethyl-1,3-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.97	10.63	-12.11	0	4	0	44	354.475	4	↓ MOL2 SDF SMILES Flexibase

12032826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.31	1.88	-12.49	0	6	0	70	384.457	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 7990
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 7990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7990&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "7990"        

    });
</script>

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